Skip to main content
. Author manuscript; available in PMC: 2013 Feb 14.
Published in final edited form as: J Chem Theory Comput. 2012 Feb 14;8(2):749–758. doi: 10.1021/ct200790q

Figure 1.

Figure 1

(a) Chemical structures of cholesterol, di16:0DAG, and POPC. The vector connecting C21 and C5 atoms of cholesterol (red arrow) represents the orientation of a cholesterol molecule. Atom indices, such as C4 and O2 of DAG, are the atom indices names in the corresponding molecules structure PDB files. (b) Illustration of a headgroup of PC orienting toward cholesterol (in yellow) to provide the umbrella coverage. The red spheres are oxygen atoms. (c) Illustration of the lateral insertion of DAG chains (in green) and the umbrella coverage by PC headgroup to DAG.